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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'Neutral alpha-glucosidase AB' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280031
PNG
((6S,7R,8R)-Octahydro-indolizine-1,6,7,8-tetraol | ...)
Show SMILES OC1CCN2C[C@H](O)[C@@H](O)[C@H](O)C12
Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4?,5-,6?,7+,8+/m0/s1
PDB

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Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on rice alpha Glucosidase at pH 5.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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Article
160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on rice alpha Glucosidase at pH 5.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280029
PNG
((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...)
Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
PDB

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Article
3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280030
PNG
((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...)
Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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Article
8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on rice alpha Glucosidase at pH 8.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280030
PNG
((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...)
Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on rice alpha Glucosidase at pH 5.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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Article
2.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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Article
2.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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Article
2.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 6.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280030
PNG
((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...)
Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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Article
4.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280030
PNG
((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...)
Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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3.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280030
PNG
((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...)
Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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Article
3.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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PubMed
4.10E+5n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Tested for competitive inhibition of golgi alpha mannosidase II


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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Article
4.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280031
PNG
((6S,7R,8R)-Octahydro-indolizine-1,6,7,8-tetraol | ...)
Show SMILES OC1CCN2C[C@H](O)[C@@H](O)[C@H](O)C12
Show InChI InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4?,5-,6?,7+,8+/m0/s1
PDB

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Article
>1.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280032
PNG
((2R,3R,4R,5S)-2-Methyl-piperidine-3,4,5-triol | 1,...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5-,6-/m1/s1
PDB

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Article
1.56E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280029
PNG
((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...)
Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
PDB

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Article
2.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50280029
PNG
((2R,3R,4R,5S)-2-(1-Hydroxy-propyl)-piperidine-3,4,...)
Show SMILES CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H17NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
PDB

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Article
2.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0


Citation and Details
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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n/an/a 1.30E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Tested for competitive inhibition of endoplasmic reticulum alpha-glucosidase II.


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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n/an/a 2.50E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (Golgi I) was determined in rat liver


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50407255
PNG
(CHEMBL2114189)
Show SMILES CC[C@H]1NC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5-,6-/m1/s1
PDB

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n/an/a 4.60E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (golgi II) was determined in rat liver


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50407255
PNG
(CHEMBL2114189)
Show SMILES CC[C@H]1NC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5-,6-/m1/s1
PDB

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n/an/a 5.30E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (golgi I) was determined in rat liver


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50407255
PNG
(CHEMBL2114189)
Show SMILES CC[C@H]1NC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5-,6-/m1/s1
PDB

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n/an/a 8.40E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase was determined in rat epididymis


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50407255
PNG
(CHEMBL2114189)
Show SMILES CC[C@H]1NC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5-,6-/m1/s1
PDB

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n/an/a 8.40E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of soluble mammalian alpha-mannosidase in rat liver; NI is less than 50 % inhibition at 1000 uM


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50407255
PNG
(CHEMBL2114189)
Show SMILES CC[C@H]1NC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5-,6-/m1/s1
PDB

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n/an/a 1.10E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (lysosomal) was determined in rat liver


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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n/an/a 3.20E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of soluble mammalian alpha-mannosidase in rat liver. NI is less than 50 % inhibition at 1000 micro M


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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n/an/a 3.20E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase was determined in rat epididymis


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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n/an/a 5.00E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (Golgi II) was determined in rat liver


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
PDB

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n/an/a 5.70E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (lysosomal) was determined in rat liver


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50403869
PNG
(CHEMBL2115197)
Show SMILES CC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1
PDB

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n/an/a 8.00E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (golgi II) was determined in rat liver


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
PDB

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n/an/a 1.00E+6n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (golgi II) was determined in rat liver


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens)
BDBM50403869
PNG
(CHEMBL2115197)
Show SMILES CC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1
PDB

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n/an/a 1.00E+6n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (lysosomal) was determined in rat liver


J Med Chem 37: 3701-6 (1994)

More data for this
Ligand-Target Pair